Ethyl acetylphenylacetate
TL;DR: Ethyl acetylphenylacetate (CAS 5413-05-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2-phenylbutanoate
Also Known As: Ethyl 2-phenylacetoacetate, ethyl 3-oxo-2-phenylbutanoate, 4-Chloroacetamide, Ethyl acetylphenylacetate, zlchem 724
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 5413-05-8 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)C |
| InChIKey | PWRUKIPYVGHRFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl acetylphenylacetate (CAS 5413-05-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: ethyl 3-oxo-2-phenylbutanoate.
Chemical Property Profile of Ethyl acetylphenylacetate
Property Insights of Ethyl acetylphenylacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl acetylphenylacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl acetylphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl acetylphenylacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl acetylphenylacetate?
The CAS number of Ethyl acetylphenylacetate is 5413-05-8.
What is the molecular formula of Ethyl acetylphenylacetate?
The molecular formula of Ethyl acetylphenylacetate is C12H14O3.
What is the molecular weight of Ethyl acetylphenylacetate?
The molecular weight of Ethyl acetylphenylacetate is 206.09 g/mol.
Where can I buy Ethyl acetylphenylacetate?
You can request a quote for Ethyl acetylphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl acetylphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl acetylphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.